(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine

C13H25NO3 — CID 155174680

IUPAC(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine
SMILESC=C/C(=C\CC)NCCOCCOCCOC
InChIInChI=1S/C13H25NO3/c1-4-6-13(5-2)14-7-8-16-11-12-17-10-9-15-3/h5-6,14H,2,4,7-12H2,1,3H3/b13-6+
InChIKeyCOAZBSNMQSGORG-AWNIVKPZSA-N
MW243.35 g/mol
LogP1.74
Rot. Bonds12

About (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine

(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine (PubChem CID 155174680) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine
PubChem CID155174680
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine
SMILESC=C/C(=C\CC)NCCOCCOCCOC
InChIInChI=1S/C13H25NO3/c1-4-6-13(5-2)14-7-8-16-11-12-17-10-9-15-3/h5-6,14H,2,4,7-12H2,1,3H3/b13-6+
InChIKeyCOAZBSNMQSGORG-AWNIVKPZSA-N
XLogP1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine?
The IUPAC name of (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine (CID 155174680) is (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine is C=C/C(=C\CC)NCCOCCOCCOC.
What is the InChIKey of (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine?
The InChIKey is COAZBSNMQSGORG-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-13(5-2)14-7-8-16-11-12-17-10-9-15-3/h5-6,14H,2,4,7-12H2,1,3H3/b13-6+.
What are the key properties of (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine?
(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine has a molecular weight of 243.35 g/mol, XLogP of 1.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexa-1,3-dien-3-amine is sourced from PubChem (CID 155174680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).